2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl-(2-methyl-1-oxopropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-methylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-5-(isovalerylamino)benzyl]-isobutyryl-amino]ethyl-dimethyl-ammonium Formula: C22H39N4O2+ MolecularWeight: 391.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C(C)C

InChI

InChI=1S/C22H38N4O2/c1-16(2)13-21(27)23-19-9-10-20(25(7)8)18(14-19)15-26(12-11-24(5)6)22(28)17(3)4/h9-10,14,16-17H,11-13,15H2,1-8H3,(H,23,27)/p+1